1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine

C13H16F2N2 — CID 134359515

IUPAC1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine
SMILESNC1CC(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H16F2N2/c14-11-2-1-7(3-12(11)15)10-6-13(10)17-9-4-8(16)5-9/h1-3,8-10,13,17H,4-6,16H2/t8?,9?,10-,13+/m0/s1
InChIKeyCGNCRQILQSAQCF-BWIGVGPWSA-N
MW238.28 g/mol
LogP1.90
Rot. Bonds3

About 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine

1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine (PubChem CID 134359515) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine
PubChem CID134359515
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine
SMILESNC1CC(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H16F2N2/c14-11-2-1-7(3-12(11)15)10-6-13(10)17-9-4-8(16)5-9/h1-3,8-10,13,17H,4-6,16H2/t8?,9?,10-,13+/m0/s1
InChIKeyCGNCRQILQSAQCF-BWIGVGPWSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 22736783
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide
CID 123679998
3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine
CID 134365408
3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
CID 81414919
4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
CID 170087346
4-[(1S,2R)-2-(dimethylsulfamoylamino)cyclopropyl]-1,2-difluorobenzene
CID 118607729
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
tert-butyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 76555314
benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 123672506
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine (CID 134359515) is 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine is NC1CC(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine?
The InChIKey is CGNCRQILQSAQCF-BWIGVGPWSA-N. The full InChI is InChI=1S/C13H16F2N2/c14-11-2-1-7(3-12(11)15)10-6-13(10)17-9-4-8(16)5-9/h1-3,8-10,13,17H,4-6,16H2/t8?,9?,10-,13+/m0/s1.
What are the key properties of 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine?
1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine has a molecular weight of 238.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 134359515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).